2 papers
cond-mat.mtrl-sci2026
Dynamic Ensembles of Phosphine-Stabilized Gold Nanoclusters
Caitlin A. McCandler, Disha Sanwal, Jutta Rogal
Atomically precise phosphine-stabilized gold nanoclusters are commonly characterized by single-crystal X-ray diffraction, yet the extent to which these static structures represent…
cond-mat.stat-mech2026
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles
Caitlin A. McCandler, Chatipat Lorpaiboon, Timothy C. Berkelbach +1
Markov state models (MSMs) are a powerful tool to analyze and coarse-grain complex dynamical data into interpretable kinetic processes. This capability is particularly important in…